General Information of the Compound
| Compound ID |
CP0457483
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| Compound Name |
[(2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3-(dimethylamino)-4-fluorobenzoate
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| Structure |
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| Formula |
C29H32FNO8
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| Molecular Weight |
541.572
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| Canonical SMILES |
COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(c3)N(C)C)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C29H32FNO8/c1-31(2)21-10-16(8-9-20(21)30)29(32)39-26-15-19-22(34-4)13-18(33-3)14-23(19)38-27(26)17-11-24(35-5)28(37-7)25(12-17)36-6/h8-14,26-27H,15H2,1-7H3/t26-,27-/m1/s1
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| InChIKey |
ZJDKKAAMUGGVMU-KAYWLYCHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound